High dimensionless figure of merit in full Heusler alloy Ru2ZrSi: A first principles study

Benidris, Mansour; Aziz, Z.; Bennani, Mohammed Abderrahim; Matougui, M.; Terkhi, S.; Houari, M.; Bouadjemi, B.; Khandy, Shakeel Ahmad

doi:10.1016/j.ssc.2021.114466

Cited by 4 publications

(1 citation statement)

References 37 publications

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“…High spin polarization and high Curie temperatures are anticipated for Full Heusler alloys [6]. Heusler compounds are intermetallic in nature and exhibit properties for both metals and non-metals but from the past decade, there has been a growing interest in non-magnetic Heusler phases [7][8][9][10]. The first discovered Heusler alloy in 1903 exhibited magnetic and metallic properties [11].…”

Section: Introductionmentioning

confidence: 99%

A promising optoelectronic and thermoelectric response of full Heusler Na₂TlX (X = Bi, Sb) alloys: a DFT approach

Ain,

Qaid,

Yousaf

et al. 2023

Phys. Scr.

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The energy conversion efficiency is one of the attributes that make Heusler alloys an extraordinary candidate for thermoelectric applications. In this paper, we have examined the electronic structure, elastic, optical and transport characteristics of full Heusler Na2TlX (X = Bi, Sb) alloys using DFT. The electronic properties are analyzed by utilizing modified Becke Johnson (mBJ) potential. The negative formation energies and optimization results reveal the stable phases of both alloys. The electronic properties exposed the semiconductor nature of both alloys. The elastic stability is obtained from various elastic parameters. The optical response of these alloys has been studied in depth by evaluating the real and imaginary dielectric functions, optical loss, refractive index and absorption coefficient. Furthermore, the thermoelectric properties are computed, which demonstrate the high electrical conductivity, Seebeck and ZT values for both alloys. The above computed attributes favor the use of studied alloys in green energy and optoelectronic applications.

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Section: Introductionmentioning

confidence: 99%

A promising optoelectronic and thermoelectric response of full Heusler Na₂TlX (X = Bi, Sb) alloys: a DFT approach

Ain,

Qaid,

Yousaf

et al. 2023

Phys. Scr.

View full text Add to dashboard Cite

show abstract

First-principles analysis of the physical properties of XAcTe2 (X = Li, Na) Heusler alloys for optoelectronic and thermoelectric devices

Ain

Shaheen

Haider

et al. 2023

Computational Materials Science

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The effects of vacancies defects and oxygen atoms occupation on physical properties of chromium silicide from a first-principles calculations

Zhu

Guo

Zhang

et al. 2021

Solid State Communications

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High dimensionless figure of merit in full Heusler alloy Ru2ZrSi: A first principles study

Cited by 4 publications

References 37 publications

A promising optoelectronic and thermoelectric response of full Heusler Na₂TlX (X = Bi, Sb) alloys: a DFT approach

A promising optoelectronic and thermoelectric response of full Heusler Na₂TlX (X = Bi, Sb) alloys: a DFT approach

First-principles analysis of the physical properties of XAcTe2 (X = Li, Na) Heusler alloys for optoelectronic and thermoelectric devices

The effects of vacancies defects and oxygen atoms occupation on physical properties of chromium silicide from a first-principles calculations

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High dimensionless figure of merit in full Heusler alloy Ru2ZrSi: A first principles study

Cited by 4 publications

References 37 publications

A promising optoelectronic and thermoelectric response of full Heusler Na2TlX (X = Bi, Sb) alloys: a DFT approach

A promising optoelectronic and thermoelectric response of full Heusler Na2TlX (X = Bi, Sb) alloys: a DFT approach

First-principles analysis of the physical properties of XAcTe2 (X = Li, Na) Heusler alloys for optoelectronic and thermoelectric devices

The effects of vacancies defects and oxygen atoms occupation on physical properties of chromium silicide from a first-principles calculations

Contact Info

Product

Resources

About

A promising optoelectronic and thermoelectric response of full Heusler Na₂TlX (X = Bi, Sb) alloys: a DFT approach

A promising optoelectronic and thermoelectric response of full Heusler Na₂TlX (X = Bi, Sb) alloys: a DFT approach